Vitas-M small molecule compound
(4E)-5-(4-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL051719
SMILES CCCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H30N2O7S MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O7S/c1-3-5-14-39-21-9-6-19(7-10-21)28-27(29(35)20-8-13-24-25(17-20)41-16-15-40-24)30(36)31(37)34(28)32-33-23-12-11-22(38-4-2)18-26(23)42-32/h6-13,17-18,28,35H,3-5,14-16H2,1-2H3/b29-27+InChIKey
ZJTAPFRWBWCSOF-ORIPQNMZSA-NSynonyms
(4E)5(4butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC32H30N2O7Sc1351439219619(71021)2827(29(35)208132425(1720)4116154024)30(36)31(37)34(28)323323121122(3842)1826(23)4232h61317182835H351416H212H3b2927+
MFCD05734623
ZINC000102888826
ZINC000102888828
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